USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 ASN : amide:sc= 0.0946 K(o=0.068,f=-5.7!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.0264 K(o=0.068,f=-4.2!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.284 K(o=-1.4,f=-3!) USER MOD Set 2.2: A 65 ASN : amide:sc= -1.71! C(o=-1.4!,f=-3.2!) USER MOD Single : A 11 SER OG : rot -32:sc= 0.296 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -170:sc= 0 (180deg=-0.0784) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -2:sc= 1.29 USER MOD Single : A 30 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.46) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.54 (180deg=-2.9!) USER MOD Single : A 42 SER OG : rot 157:sc= 1.42 USER MOD Single : A 45 SER OG : rot 41:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0.656 (180deg=0.501) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0728 (180deg=-0.34) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.254 F(o=-1.3,f=-0.25) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0623 (180deg=-0.456) USER MOD Single : A 73 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 74 MET CE :methyl 165:sc= -0.181 (180deg=-0.612) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 83 THR OG1 : rot 37:sc= 0.445 USER MOD Single : A 84 MET CE :methyl -152:sc= -0.724 (180deg=-1.71) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 6.556 -11.494 -5.418 1.00 0.00 N ATOM 56 CA SER A 11 7.214 -10.200 -5.551 1.00 0.00 C ATOM 57 C SER A 11 6.497 -9.137 -4.709 1.00 0.00 C ATOM 58 O SER A 11 7.094 -8.149 -4.287 1.00 0.00 O ATOM 59 CB SER A 11 7.234 -9.790 -7.022 1.00 0.00 C ATOM 60 OG SER A 11 5.957 -9.980 -7.615 1.00 0.00 O ATOM 0 HA SER A 11 8.238 -10.283 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.529 -8.744 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.980 -10.377 -7.558 1.00 0.00 H new ATOM 0 HG SER A 11 5.514 -10.749 -7.199 1.00 0.00 H new ATOM 66 N GLU A 12 5.218 -9.387 -4.450 1.00 0.00 N ATOM 67 CA GLU A 12 4.376 -8.499 -3.670 1.00 0.00 C ATOM 68 C GLU A 12 4.856 -8.414 -2.214 1.00 0.00 C ATOM 69 O GLU A 12 4.738 -7.372 -1.574 1.00 0.00 O ATOM 70 CB GLU A 12 2.935 -9.000 -3.715 1.00 0.00 C ATOM 71 CG GLU A 12 2.461 -9.364 -5.115 1.00 0.00 C ATOM 72 CD GLU A 12 1.089 -9.994 -5.120 1.00 0.00 C ATOM 73 OE1 GLU A 12 0.868 -10.958 -4.355 1.00 0.00 O ATOM 74 OE2 GLU A 12 0.226 -9.543 -5.901 1.00 0.00 O ATOM 0 H GLU A 12 4.735 -10.222 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 12 4.434 -7.499 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.842 -9.874 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.279 -8.232 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.447 -8.467 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.174 -10.053 -5.568 1.00 0.00 H new ATOM 81 N THR A 13 5.400 -9.513 -1.694 1.00 0.00 N ATOM 82 CA THR A 13 5.899 -9.538 -0.325 1.00 0.00 C ATOM 83 C THR A 13 7.384 -9.208 -0.304 1.00 0.00 C ATOM 84 O THR A 13 7.958 -8.916 0.747 1.00 0.00 O ATOM 85 CB THR A 13 5.681 -10.925 0.335 1.00 0.00 C ATOM 86 OG1 THR A 13 6.309 -11.947 -0.444 1.00 0.00 O ATOM 87 CG2 THR A 13 4.204 -11.240 0.471 1.00 0.00 C ATOM 0 H THR A 13 5.505 -10.393 -2.199 1.00 0.00 H new ATOM 0 HA THR A 13 5.341 -8.792 0.241 1.00 0.00 H new ATOM 0 HB THR A 13 6.127 -10.893 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.166 -12.818 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.082 -12.218 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.726 -10.481 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.741 -11.248 -0.516 1.00 0.00 H new ATOM 95 N TYR A 14 7.993 -9.248 -1.477 1.00 0.00 N ATOM 96 CA TYR A 14 9.404 -8.993 -1.630 1.00 0.00 C ATOM 97 C TYR A 14 9.670 -7.491 -1.724 1.00 0.00 C ATOM 98 O TYR A 14 10.802 -7.035 -1.560 1.00 0.00 O ATOM 99 CB TYR A 14 9.917 -9.714 -2.883 1.00 0.00 C ATOM 100 CG TYR A 14 11.389 -9.542 -3.142 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.329 -10.218 -2.381 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.839 -8.701 -4.148 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.676 -10.062 -2.615 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.182 -8.538 -4.389 1.00 0.00 C ATOM 105 CZ TYR A 14 14.101 -9.219 -3.620 1.00 0.00 C ATOM 106 OH TYR A 14 15.447 -9.061 -3.858 1.00 0.00 O ATOM 0 H TYR A 14 7.514 -9.460 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 14 9.935 -9.373 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.699 -10.778 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.364 -9.350 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.999 -10.878 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.122 -8.165 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.397 -10.597 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.516 -7.879 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 14 15.577 -8.434 -4.600 1.00 0.00 H new ATOM 116 N ILE A 15 8.622 -6.727 -1.954 1.00 0.00 N ATOM 117 CA ILE A 15 8.750 -5.303 -2.079 1.00 0.00 C ATOM 118 C ILE A 15 8.331 -4.645 -0.763 1.00 0.00 C ATOM 119 O ILE A 15 7.245 -4.899 -0.231 1.00 0.00 O ATOM 120 CB ILE A 15 7.933 -4.764 -3.311 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.235 -3.274 -3.609 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.437 -5.000 -3.142 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.467 -2.277 -2.761 1.00 0.00 C ATOM 0 H ILE A 15 7.670 -7.078 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 15 9.791 -5.044 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 15 8.263 -5.337 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.302 -3.101 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.016 -3.078 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.907 -4.614 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.246 -6.069 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.086 -4.486 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.749 -1.263 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.397 -2.414 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.703 -2.437 -1.709 1.00 0.00 H new ATOM 135 N THR A 16 9.211 -3.845 -0.223 1.00 0.00 N ATOM 136 CA THR A 16 8.976 -3.215 1.047 1.00 0.00 C ATOM 137 C THR A 16 8.267 -1.872 0.865 1.00 0.00 C ATOM 138 O THR A 16 8.549 -1.139 -0.077 1.00 0.00 O ATOM 139 CB THR A 16 10.308 -3.012 1.786 1.00 0.00 C ATOM 140 OG1 THR A 16 11.129 -4.179 1.614 1.00 0.00 O ATOM 141 CG2 THR A 16 10.068 -2.794 3.262 1.00 0.00 C ATOM 0 H THR A 16 10.108 -3.613 -0.650 1.00 0.00 H new ATOM 0 HA THR A 16 8.332 -3.865 1.640 1.00 0.00 H new ATOM 0 HB THR A 16 10.806 -2.135 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.980 -4.052 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.023 -2.652 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.447 -1.909 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.561 -3.663 3.680 1.00 0.00 H new ATOM 149 N CYS A 17 7.361 -1.560 1.781 1.00 0.00 N ATOM 150 CA CYS A 17 6.559 -0.339 1.717 1.00 0.00 C ATOM 151 C CYS A 17 7.428 0.921 1.593 1.00 0.00 C ATOM 152 O CYS A 17 7.134 1.804 0.790 1.00 0.00 O ATOM 153 CB CYS A 17 5.665 -0.253 2.946 1.00 0.00 C ATOM 154 SG CYS A 17 4.807 1.323 3.149 1.00 0.00 S ATOM 0 H CYS A 17 7.159 -2.145 2.592 1.00 0.00 H new ATOM 0 HA CYS A 17 5.944 -0.388 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.924 -1.050 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.271 -0.437 3.833 1.00 0.00 H new ATOM 159 N ALA A 18 8.490 0.996 2.382 1.00 0.00 N ATOM 160 CA ALA A 18 9.410 2.133 2.326 1.00 0.00 C ATOM 161 C ALA A 18 10.050 2.256 0.935 1.00 0.00 C ATOM 162 O ALA A 18 10.257 3.360 0.431 1.00 0.00 O ATOM 163 CB ALA A 18 10.486 1.996 3.396 1.00 0.00 C ATOM 0 H ALA A 18 8.740 0.285 3.070 1.00 0.00 H new ATOM 0 HA ALA A 18 8.839 3.042 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.163 2.849 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.019 1.965 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.047 1.076 3.232 1.00 0.00 H new ATOM 169 N GLU A 19 10.314 1.115 0.316 1.00 0.00 N ATOM 170 CA GLU A 19 10.951 1.062 -1.000 1.00 0.00 C ATOM 171 C GLU A 19 9.992 1.488 -2.109 1.00 0.00 C ATOM 172 O GLU A 19 10.421 1.847 -3.208 1.00 0.00 O ATOM 173 CB GLU A 19 11.465 -0.350 -1.278 1.00 0.00 C ATOM 174 CG GLU A 19 12.525 -0.819 -0.301 1.00 0.00 C ATOM 175 CD GLU A 19 13.789 -0.001 -0.388 1.00 0.00 C ATOM 176 OE1 GLU A 19 13.894 1.020 0.325 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.685 -0.372 -1.170 1.00 0.00 O ATOM 0 H GLU A 19 10.095 0.199 0.707 1.00 0.00 H new ATOM 0 HA GLU A 19 11.787 1.762 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.625 -1.044 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.874 -0.385 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.130 -0.765 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.758 -1.866 -0.497 1.00 0.00 H new ATOM 184 N ALA A 20 8.695 1.441 -1.822 1.00 0.00 N ATOM 185 CA ALA A 20 7.679 1.800 -2.798 1.00 0.00 C ATOM 186 C ALA A 20 7.848 3.243 -3.277 1.00 0.00 C ATOM 187 O ALA A 20 7.657 3.538 -4.451 1.00 0.00 O ATOM 188 CB ALA A 20 6.290 1.591 -2.211 1.00 0.00 C ATOM 0 H ALA A 20 8.324 1.156 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 20 7.799 1.149 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.537 1.863 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.165 0.544 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.171 2.216 -1.326 1.00 0.00 H new ATOM 194 N ASN A 21 8.247 4.125 -2.371 1.00 0.00 N ATOM 195 CA ASN A 21 8.428 5.535 -2.717 1.00 0.00 C ATOM 196 C ASN A 21 9.658 5.672 -3.595 1.00 0.00 C ATOM 197 O ASN A 21 9.659 6.399 -4.592 1.00 0.00 O ATOM 198 CB ASN A 21 8.589 6.386 -1.451 1.00 0.00 C ATOM 199 CG ASN A 21 8.430 7.883 -1.704 1.00 0.00 C ATOM 200 OD1 ASN A 21 8.671 8.372 -2.803 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.027 8.612 -0.682 1.00 0.00 N ATOM 0 H ASN A 21 8.451 3.896 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 21 7.548 5.889 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.852 6.069 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.573 6.200 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.906 9.619 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.836 8.169 0.217 1.00 0.00 H new ATOM 208 N GLU A 22 10.704 4.960 -3.209 1.00 0.00 N ATOM 209 CA GLU A 22 11.943 4.939 -3.952 1.00 0.00 C ATOM 210 C GLU A 22 11.706 4.481 -5.400 1.00 0.00 C ATOM 211 O GLU A 22 12.248 5.060 -6.331 1.00 0.00 O ATOM 212 CB GLU A 22 12.961 4.034 -3.258 1.00 0.00 C ATOM 213 CG GLU A 22 14.365 4.159 -3.810 1.00 0.00 C ATOM 214 CD GLU A 22 15.365 3.321 -3.052 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.735 3.701 -1.920 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.812 2.289 -3.590 1.00 0.00 O ATOM 0 H GLU A 22 10.713 4.381 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 22 12.343 5.952 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.977 4.269 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.635 2.998 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.367 3.860 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.673 5.204 -3.776 1.00 0.00 H new ATOM 223 N MET A 23 10.907 3.433 -5.580 1.00 0.00 N ATOM 224 CA MET A 23 10.577 2.954 -6.923 1.00 0.00 C ATOM 225 C MET A 23 9.750 3.988 -7.689 1.00 0.00 C ATOM 226 O MET A 23 10.007 4.247 -8.848 1.00 0.00 O ATOM 227 CB MET A 23 9.794 1.642 -6.867 1.00 0.00 C ATOM 228 CG MET A 23 9.581 1.011 -8.241 1.00 0.00 C ATOM 229 SD MET A 23 8.128 -0.061 -8.319 1.00 0.00 S ATOM 230 CE MET A 23 8.446 -1.196 -6.979 1.00 0.00 C ATOM 0 H MET A 23 10.478 2.902 -4.822 1.00 0.00 H new ATOM 0 HA MET A 23 11.522 2.788 -7.441 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.325 0.936 -6.228 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.824 1.824 -6.403 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.481 1.802 -8.984 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.465 0.433 -8.508 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.729 -2.016 -7.019 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.457 -1.593 -7.070 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.346 -0.673 -6.028 1.00 0.00 H new ATOM 240 N ALA A 24 8.747 4.549 -7.009 1.00 0.00 N ATOM 241 CA ALA A 24 7.815 5.538 -7.578 1.00 0.00 C ATOM 242 C ALA A 24 8.498 6.653 -8.384 1.00 0.00 C ATOM 243 O ALA A 24 7.904 7.192 -9.312 1.00 0.00 O ATOM 244 CB ALA A 24 6.951 6.139 -6.479 1.00 0.00 C ATOM 0 H ALA A 24 8.553 4.329 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 24 7.195 4.991 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.267 6.868 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.379 5.349 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.588 6.631 -5.744 1.00 0.00 H new ATOM 250 N LYS A 25 9.726 6.991 -8.039 1.00 0.00 N ATOM 251 CA LYS A 25 10.440 8.060 -8.753 1.00 0.00 C ATOM 252 C LYS A 25 10.834 7.594 -10.142 1.00 0.00 C ATOM 253 O LYS A 25 11.067 8.394 -11.043 1.00 0.00 O ATOM 254 CB LYS A 25 11.673 8.531 -7.973 1.00 0.00 C ATOM 255 CG LYS A 25 12.788 7.511 -7.895 1.00 0.00 C ATOM 256 CD LYS A 25 13.956 8.034 -7.083 1.00 0.00 C ATOM 257 CE LYS A 25 15.088 7.024 -7.042 1.00 0.00 C ATOM 258 NZ LYS A 25 16.294 7.568 -6.375 1.00 0.00 N ATOM 0 H LYS A 25 10.253 6.555 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 25 9.764 8.910 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.058 9.438 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.368 8.797 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.412 6.592 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.125 7.260 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.314 8.969 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.627 8.257 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.756 6.129 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.341 6.722 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.043 6.846 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.627 8.408 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.060 7.833 -5.397 1.00 0.00 H new ATOM 272 N THR A 26 10.908 6.297 -10.299 1.00 0.00 N ATOM 273 CA THR A 26 11.197 5.691 -11.562 1.00 0.00 C ATOM 274 C THR A 26 9.904 5.125 -12.150 1.00 0.00 C ATOM 275 O THR A 26 9.699 5.131 -13.367 1.00 0.00 O ATOM 276 CB THR A 26 12.238 4.569 -11.396 1.00 0.00 C ATOM 277 OG1 THR A 26 13.370 5.074 -10.668 1.00 0.00 O ATOM 278 CG2 THR A 26 12.704 4.049 -12.744 1.00 0.00 C ATOM 0 H THR A 26 10.767 5.629 -9.541 1.00 0.00 H new ATOM 0 HA THR A 26 11.610 6.442 -12.236 1.00 0.00 H new ATOM 0 HB THR A 26 11.772 3.748 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.034 4.361 -10.559 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.439 3.258 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.851 3.653 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.157 4.862 -13.311 1.00 0.00 H new ATOM 286 N ASP A 27 9.031 4.626 -11.270 1.00 0.00 N ATOM 287 CA ASP A 27 7.756 4.109 -11.691 1.00 0.00 C ATOM 288 C ASP A 27 6.663 4.411 -10.676 1.00 0.00 C ATOM 289 O ASP A 27 6.452 3.657 -9.726 1.00 0.00 O ATOM 290 CB ASP A 27 7.850 2.630 -11.903 1.00 0.00 C ATOM 291 CG ASP A 27 6.969 2.179 -13.046 1.00 0.00 C ATOM 292 OD1 ASP A 27 5.738 2.124 -12.863 1.00 0.00 O ATOM 293 OD2 ASP A 27 7.498 1.904 -14.140 1.00 0.00 O ATOM 0 H ASP A 27 9.198 4.576 -10.265 1.00 0.00 H new ATOM 0 HA ASP A 27 7.492 4.601 -12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.885 2.356 -12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.558 2.111 -10.990 1.00 0.00 H new ATOM 298 N SER A 28 6.002 5.529 -10.867 1.00 0.00 N ATOM 299 CA SER A 28 4.897 5.927 -10.007 1.00 0.00 C ATOM 300 C SER A 28 3.690 5.006 -10.213 1.00 0.00 C ATOM 301 O SER A 28 2.980 4.672 -9.261 1.00 0.00 O ATOM 302 CB SER A 28 4.498 7.379 -10.285 1.00 0.00 C ATOM 303 OG SER A 28 5.592 8.262 -10.082 1.00 0.00 O ATOM 0 H SER A 28 6.209 6.189 -11.617 1.00 0.00 H new ATOM 0 HA SER A 28 5.227 5.843 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.140 7.470 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.672 7.663 -9.632 1.00 0.00 H new ATOM 0 HG SER A 28 6.370 7.753 -9.771 1.00 0.00 H new ATOM 309 N ALA A 29 3.477 4.585 -11.457 1.00 0.00 N ATOM 310 CA ALA A 29 2.347 3.738 -11.805 1.00 0.00 C ATOM 311 C ALA A 29 2.427 2.376 -11.126 1.00 0.00 C ATOM 312 O ALA A 29 1.446 1.908 -10.553 1.00 0.00 O ATOM 313 CB ALA A 29 2.262 3.574 -13.313 1.00 0.00 C ATOM 0 H ALA A 29 4.080 4.821 -12.245 1.00 0.00 H new ATOM 0 HA ALA A 29 1.442 4.228 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.413 2.938 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.133 4.551 -13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.179 3.115 -13.681 1.00 0.00 H new ATOM 319 N GLN A 30 3.604 1.756 -11.178 1.00 0.00 N ATOM 320 CA GLN A 30 3.819 0.430 -10.601 1.00 0.00 C ATOM 321 C GLN A 30 3.385 0.393 -9.139 1.00 0.00 C ATOM 322 O GLN A 30 2.723 -0.543 -8.695 1.00 0.00 O ATOM 323 CB GLN A 30 5.301 0.064 -10.707 1.00 0.00 C ATOM 324 CG GLN A 30 5.611 -1.388 -10.415 1.00 0.00 C ATOM 325 CD GLN A 30 5.064 -2.325 -11.478 1.00 0.00 C ATOM 326 OE1 GLN A 30 3.927 -2.782 -11.400 1.00 0.00 O ATOM 327 NE2 GLN A 30 5.872 -2.612 -12.482 1.00 0.00 N ATOM 0 H GLN A 30 4.432 2.156 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 30 3.218 -0.291 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.650 0.302 -11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.867 0.689 -10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.691 -1.518 -10.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.191 -1.658 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.810 -2.213 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.558 -3.233 -13.228 1.00 0.00 H new ATOM 336 N VAL A 31 3.724 1.436 -8.414 1.00 0.00 N ATOM 337 CA VAL A 31 3.432 1.513 -6.996 1.00 0.00 C ATOM 338 C VAL A 31 1.954 1.814 -6.738 1.00 0.00 C ATOM 339 O VAL A 31 1.359 1.292 -5.804 1.00 0.00 O ATOM 340 CB VAL A 31 4.304 2.587 -6.316 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.024 2.653 -4.823 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.776 2.310 -6.577 1.00 0.00 C ATOM 0 H VAL A 31 4.208 2.253 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 31 3.663 0.537 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 31 4.051 3.557 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.653 3.419 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.975 2.901 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.243 1.687 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.382 3.075 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.039 1.331 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.964 2.325 -7.651 1.00 0.00 H new ATOM 352 N ALA A 32 1.361 2.608 -7.601 1.00 0.00 N ATOM 353 CA ALA A 32 -0.017 3.025 -7.421 1.00 0.00 C ATOM 354 C ALA A 32 -0.979 1.921 -7.830 1.00 0.00 C ATOM 355 O ALA A 32 -2.034 1.745 -7.224 1.00 0.00 O ATOM 356 CB ALA A 32 -0.294 4.294 -8.214 1.00 0.00 C ATOM 0 H ALA A 32 1.810 2.980 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.173 3.233 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.332 4.594 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.366 5.090 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.115 4.108 -9.273 1.00 0.00 H new ATOM 362 N GLU A 33 -0.614 1.181 -8.858 1.00 0.00 N ATOM 363 CA GLU A 33 -1.453 0.113 -9.358 1.00 0.00 C ATOM 364 C GLU A 33 -1.403 -1.124 -8.463 1.00 0.00 C ATOM 365 O GLU A 33 -2.445 -1.635 -8.059 1.00 0.00 O ATOM 366 CB GLU A 33 -1.081 -0.235 -10.795 1.00 0.00 C ATOM 367 CG GLU A 33 -1.392 0.882 -11.782 1.00 0.00 C ATOM 368 CD GLU A 33 -1.053 0.514 -13.205 1.00 0.00 C ATOM 369 OE1 GLU A 33 -1.630 -0.467 -13.718 1.00 0.00 O ATOM 370 OE2 GLU A 33 -0.220 1.205 -13.823 1.00 0.00 O ATOM 0 H GLU A 33 0.263 1.302 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.482 0.473 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.017 -0.467 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.617 -1.136 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.451 1.133 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.835 1.776 -11.500 1.00 0.00 H new ATOM 377 N ILE A 34 -0.196 -1.586 -8.127 1.00 0.00 N ATOM 378 CA ILE A 34 -0.049 -2.786 -7.289 1.00 0.00 C ATOM 379 C ILE A 34 -0.746 -2.603 -5.939 1.00 0.00 C ATOM 380 O ILE A 34 -1.493 -3.479 -5.488 1.00 0.00 O ATOM 381 CB ILE A 34 1.443 -3.158 -7.061 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.102 -3.570 -8.384 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.573 -4.279 -6.027 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.571 -3.925 -8.254 1.00 0.00 C ATOM 0 H ILE A 34 0.683 -1.157 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.525 -3.605 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 34 1.958 -2.278 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.566 -4.426 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.997 -2.755 -9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.626 -4.522 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.144 -3.952 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.041 -5.163 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.965 -4.205 -9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.121 -3.064 -7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.684 -4.761 -7.564 1.00 0.00 H new ATOM 396 N VAL A 35 -0.501 -1.465 -5.310 1.00 0.00 N ATOM 397 CA VAL A 35 -1.103 -1.138 -4.024 1.00 0.00 C ATOM 398 C VAL A 35 -2.635 -1.065 -4.117 1.00 0.00 C ATOM 399 O VAL A 35 -3.339 -1.515 -3.218 1.00 0.00 O ATOM 400 CB VAL A 35 -0.536 0.204 -3.482 1.00 0.00 C ATOM 401 CG1 VAL A 35 -1.353 0.734 -2.318 1.00 0.00 C ATOM 402 CG2 VAL A 35 0.916 0.030 -3.068 1.00 0.00 C ATOM 0 H VAL A 35 0.119 -0.742 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.847 -1.939 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.597 0.937 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.923 1.673 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.380 0.903 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.344 0.007 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.302 0.976 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.983 -0.727 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.505 -0.284 -3.930 1.00 0.00 H new ATOM 412 N ALA A 36 -3.137 -0.529 -5.214 1.00 0.00 N ATOM 413 CA ALA A 36 -4.573 -0.366 -5.400 1.00 0.00 C ATOM 414 C ALA A 36 -5.277 -1.694 -5.669 1.00 0.00 C ATOM 415 O ALA A 36 -6.301 -1.985 -5.053 1.00 0.00 O ATOM 416 CB ALA A 36 -4.860 0.619 -6.521 1.00 0.00 C ATOM 0 H ALA A 36 -2.571 -0.197 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.972 0.030 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.938 0.727 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.424 1.587 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.424 0.251 -7.450 1.00 0.00 H new ATOM 422 N VAL A 37 -4.729 -2.493 -6.590 1.00 0.00 N ATOM 423 CA VAL A 37 -5.348 -3.771 -6.976 1.00 0.00 C ATOM 424 C VAL A 37 -5.660 -4.660 -5.762 1.00 0.00 C ATOM 425 O VAL A 37 -6.822 -4.909 -5.463 1.00 0.00 O ATOM 426 CB VAL A 37 -4.479 -4.554 -7.994 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.083 -5.926 -8.285 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.335 -3.766 -9.286 1.00 0.00 C ATOM 0 H VAL A 37 -3.861 -2.281 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.291 -3.510 -7.456 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.492 -4.697 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.455 -6.455 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.143 -6.501 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.083 -5.803 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.722 -4.330 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.320 -3.594 -9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.859 -2.808 -9.077 1.00 0.00 H new ATOM 438 N MET A 38 -4.639 -5.136 -5.071 1.00 0.00 N ATOM 439 CA MET A 38 -4.852 -5.979 -3.897 1.00 0.00 C ATOM 440 C MET A 38 -5.350 -5.168 -2.709 1.00 0.00 C ATOM 441 O MET A 38 -6.202 -5.631 -1.951 1.00 0.00 O ATOM 442 CB MET A 38 -3.543 -6.721 -3.552 1.00 0.00 C ATOM 443 CG MET A 38 -3.589 -7.598 -2.297 1.00 0.00 C ATOM 444 SD MET A 38 -3.418 -6.659 -0.756 1.00 0.00 S ATOM 445 CE MET A 38 -1.837 -5.856 -1.011 1.00 0.00 C ATOM 0 H MET A 38 -3.660 -4.958 -5.296 1.00 0.00 H new ATOM 0 HA MET A 38 -5.626 -6.710 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.267 -7.347 -4.401 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.750 -5.983 -3.429 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.532 -8.144 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.793 -8.340 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.324 -5.750 -0.055 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.228 -6.458 -1.685 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.996 -4.870 -1.449 1.00 0.00 H new ATOM 455 N GLY A 39 -4.829 -3.957 -2.565 1.00 0.00 N ATOM 456 CA GLY A 39 -5.188 -3.112 -1.438 1.00 0.00 C ATOM 457 C GLY A 39 -6.676 -2.873 -1.320 1.00 0.00 C ATOM 458 O GLY A 39 -7.264 -3.127 -0.267 1.00 0.00 O ATOM 0 H GLY A 39 -4.160 -3.541 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.827 -3.572 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.680 -2.153 -1.535 1.00 0.00 H new ATOM 462 N ASN A 40 -7.287 -2.395 -2.400 1.00 0.00 N ATOM 463 CA ASN A 40 -8.723 -2.104 -2.410 1.00 0.00 C ATOM 464 C ASN A 40 -9.543 -3.350 -2.063 1.00 0.00 C ATOM 465 O ASN A 40 -10.563 -3.256 -1.390 1.00 0.00 O ATOM 466 CB ASN A 40 -9.164 -1.513 -3.767 1.00 0.00 C ATOM 467 CG ASN A 40 -9.743 -2.543 -4.730 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.942 -2.816 -4.724 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.899 -3.106 -5.559 1.00 0.00 N ATOM 0 H ASN A 40 -6.813 -2.200 -3.282 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.912 -1.354 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.909 -0.737 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.307 -1.031 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.229 -3.798 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.911 -2.852 -5.532 1.00 0.00 H new ATOM 476 N ALA A 41 -9.078 -4.512 -2.505 1.00 0.00 N ATOM 477 CA ALA A 41 -9.770 -5.758 -2.228 1.00 0.00 C ATOM 478 C ALA A 41 -9.625 -6.134 -0.759 1.00 0.00 C ATOM 479 O ALA A 41 -10.602 -6.464 -0.089 1.00 0.00 O ATOM 480 CB ALA A 41 -9.239 -6.871 -3.121 1.00 0.00 C ATOM 0 H ALA A 41 -8.226 -4.614 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.830 -5.620 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.768 -7.798 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.394 -6.604 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.174 -7.009 -2.936 1.00 0.00 H new ATOM 486 N SER A 42 -8.396 -6.074 -0.269 1.00 0.00 N ATOM 487 CA SER A 42 -8.099 -6.400 1.118 1.00 0.00 C ATOM 488 C SER A 42 -8.848 -5.489 2.097 1.00 0.00 C ATOM 489 O SER A 42 -9.439 -5.973 3.068 1.00 0.00 O ATOM 490 CB SER A 42 -6.598 -6.367 1.369 1.00 0.00 C ATOM 491 OG SER A 42 -5.952 -7.376 0.611 1.00 0.00 O ATOM 0 H SER A 42 -7.581 -5.800 -0.817 1.00 0.00 H new ATOM 0 HA SER A 42 -8.453 -7.415 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.199 -5.389 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.396 -6.514 2.430 1.00 0.00 H new ATOM 0 HG SER A 42 -5.011 -7.136 0.482 1.00 0.00 H new ATOM 497 N VAL A 43 -8.845 -4.182 1.846 1.00 0.00 N ATOM 498 CA VAL A 43 -9.570 -3.265 2.718 1.00 0.00 C ATOM 499 C VAL A 43 -11.069 -3.530 2.643 1.00 0.00 C ATOM 500 O VAL A 43 -11.784 -3.430 3.643 1.00 0.00 O ATOM 501 CB VAL A 43 -9.270 -1.767 2.411 1.00 0.00 C ATOM 502 CG1 VAL A 43 -7.790 -1.466 2.577 1.00 0.00 C ATOM 503 CG2 VAL A 43 -9.739 -1.380 1.020 1.00 0.00 C ATOM 0 H VAL A 43 -8.360 -3.742 1.064 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.217 -3.456 3.732 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.828 -1.167 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.606 -0.414 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.488 -1.681 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.213 -2.086 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.514 -0.329 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.226 -1.993 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.814 -1.540 0.941 1.00 0.00 H new ATOM 513 N ALA A 44 -11.536 -3.917 1.465 1.00 0.00 N ATOM 514 CA ALA A 44 -12.933 -4.228 1.257 1.00 0.00 C ATOM 515 C ALA A 44 -13.290 -5.577 1.873 1.00 0.00 C ATOM 516 O ALA A 44 -14.455 -5.911 2.006 1.00 0.00 O ATOM 517 CB ALA A 44 -13.252 -4.226 -0.229 1.00 0.00 C ATOM 0 H ALA A 44 -10.956 -4.022 0.633 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.532 -3.462 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.306 -4.461 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.039 -3.242 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.640 -4.974 -0.733 1.00 0.00 H new ATOM 523 N SER A 45 -12.280 -6.339 2.269 1.00 0.00 N ATOM 524 CA SER A 45 -12.510 -7.661 2.827 1.00 0.00 C ATOM 525 C SER A 45 -12.883 -7.587 4.305 1.00 0.00 C ATOM 526 O SER A 45 -13.513 -8.494 4.836 1.00 0.00 O ATOM 527 CB SER A 45 -11.274 -8.550 2.645 1.00 0.00 C ATOM 528 OG SER A 45 -10.961 -8.732 1.269 1.00 0.00 O ATOM 0 H SER A 45 -11.299 -6.065 2.214 1.00 0.00 H new ATOM 0 HA SER A 45 -13.347 -8.101 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.423 -8.101 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.450 -9.520 3.111 1.00 0.00 H new ATOM 0 HG SER A 45 -11.081 -7.885 0.791 1.00 0.00 H new ATOM 534 N ARG A 46 -12.502 -6.505 4.970 1.00 0.00 N ATOM 535 CA ARG A 46 -12.776 -6.387 6.397 1.00 0.00 C ATOM 536 C ARG A 46 -13.896 -5.387 6.676 1.00 0.00 C ATOM 537 O ARG A 46 -14.544 -5.450 7.721 1.00 0.00 O ATOM 538 CB ARG A 46 -11.514 -5.974 7.147 1.00 0.00 C ATOM 539 CG ARG A 46 -10.293 -6.831 6.837 1.00 0.00 C ATOM 540 CD ARG A 46 -10.504 -8.285 7.213 1.00 0.00 C ATOM 541 NE ARG A 46 -9.316 -9.089 6.927 1.00 0.00 N ATOM 542 CZ ARG A 46 -9.277 -10.421 6.965 1.00 0.00 C ATOM 543 NH1 ARG A 46 -10.373 -11.115 7.247 1.00 0.00 N ATOM 544 NH2 ARG A 46 -8.141 -11.057 6.706 1.00 0.00 N ATOM 0 H ARG A 46 -12.013 -5.711 4.556 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.103 -7.365 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.285 -4.936 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.711 -6.017 8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.063 -6.762 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.430 -6.440 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.747 -8.356 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.356 -8.684 6.663 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.457 -8.596 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.250 -10.629 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.338 -12.134 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.300 -10.527 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.109 -12.076 6.735 1.00 0.00 H new ATOM 558 N ASP A 47 -14.129 -4.479 5.743 1.00 0.00 N ATOM 559 CA ASP A 47 -15.180 -3.494 5.900 1.00 0.00 C ATOM 560 C ASP A 47 -16.386 -3.877 5.057 1.00 0.00 C ATOM 561 O ASP A 47 -17.522 -3.580 5.409 1.00 0.00 O ATOM 562 CB ASP A 47 -14.668 -2.114 5.511 1.00 0.00 C ATOM 563 CG ASP A 47 -15.646 -1.016 5.864 1.00 0.00 C ATOM 564 OD1 ASP A 47 -16.203 -1.044 6.977 1.00 0.00 O ATOM 565 OD2 ASP A 47 -15.864 -0.117 5.031 1.00 0.00 O ATOM 0 H ASP A 47 -13.604 -4.405 4.871 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.486 -3.465 6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.719 -1.927 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.472 -2.091 4.439 1.00 0.00 H new ATOM 570 N LEU A 48 -16.113 -4.538 3.925 1.00 0.00 N ATOM 571 CA LEU A 48 -17.147 -5.073 3.014 1.00 0.00 C ATOM 572 C LEU A 48 -17.958 -3.984 2.300 1.00 0.00 C ATOM 573 O LEU A 48 -18.877 -4.289 1.545 1.00 0.00 O ATOM 574 CB LEU A 48 -18.087 -6.036 3.760 1.00 0.00 C ATOM 575 CG LEU A 48 -17.415 -7.245 4.426 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.439 -8.080 5.177 1.00 0.00 C ATOM 577 CD2 LEU A 48 -16.689 -8.094 3.391 1.00 0.00 C ATOM 0 H LEU A 48 -15.161 -4.721 3.608 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.610 -5.618 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.620 -5.473 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.834 -6.402 3.056 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.681 -6.876 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.943 -8.932 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.911 -7.470 5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.198 -8.437 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.220 -8.946 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.403 -8.452 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.924 -7.493 2.899 1.00 0.00 H new ATOM 589 N LYS A 49 -17.620 -2.727 2.525 1.00 0.00 N ATOM 590 CA LYS A 49 -18.349 -1.631 1.893 1.00 0.00 C ATOM 591 C LYS A 49 -17.404 -0.584 1.306 1.00 0.00 C ATOM 592 O LYS A 49 -17.823 0.520 0.955 1.00 0.00 O ATOM 593 CB LYS A 49 -19.317 -0.995 2.887 1.00 0.00 C ATOM 594 CG LYS A 49 -18.675 -0.654 4.203 1.00 0.00 C ATOM 595 CD LYS A 49 -19.657 -0.055 5.179 1.00 0.00 C ATOM 596 CE LYS A 49 -18.978 0.228 6.500 1.00 0.00 C ATOM 597 NZ LYS A 49 -17.883 1.219 6.362 1.00 0.00 N ATOM 0 H LYS A 49 -16.854 -2.437 3.133 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.922 -2.047 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.735 -0.089 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.149 -1.677 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.238 -1.554 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.858 0.048 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.070 0.867 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.492 -0.739 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.714 0.598 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.577 -0.700 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.390 1.321 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.210 0.895 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.280 2.138 6.079 1.00 0.00 H new ATOM 611 N ILE A 50 -16.136 -0.934 1.197 1.00 0.00 N ATOM 612 CA ILE A 50 -15.155 -0.037 0.607 1.00 0.00 C ATOM 613 C ILE A 50 -15.110 -0.258 -0.897 1.00 0.00 C ATOM 614 O ILE A 50 -15.155 -1.399 -1.366 1.00 0.00 O ATOM 615 CB ILE A 50 -13.741 -0.228 1.220 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.758 0.152 2.703 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.708 0.612 0.470 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.427 -0.024 3.404 1.00 0.00 C ATOM 0 H ILE A 50 -15.760 -1.830 1.508 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.462 0.986 0.825 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.461 -1.277 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.071 1.192 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.507 -0.453 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.725 0.463 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.682 0.307 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.980 1.666 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.525 0.267 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.120 -1.068 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.676 0.602 2.922 1.00 0.00 H new ATOM 630 N GLU A 51 -15.038 0.824 -1.648 1.00 0.00 N ATOM 631 CA GLU A 51 -15.049 0.748 -3.090 1.00 0.00 C ATOM 632 C GLU A 51 -13.767 1.310 -3.675 1.00 0.00 C ATOM 633 O GLU A 51 -12.936 1.870 -2.955 1.00 0.00 O ATOM 634 CB GLU A 51 -16.261 1.486 -3.638 1.00 0.00 C ATOM 635 CG GLU A 51 -17.573 0.944 -3.105 1.00 0.00 C ATOM 636 CD GLU A 51 -18.763 1.717 -3.593 1.00 0.00 C ATOM 637 OE1 GLU A 51 -19.226 1.450 -4.717 1.00 0.00 O ATOM 638 OE2 GLU A 51 -19.240 2.607 -2.862 1.00 0.00 O ATOM 0 H GLU A 51 -14.971 1.772 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.114 -0.300 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.181 2.543 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.261 1.417 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.677 -0.100 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.554 0.965 -2.015 1.00 0.00 H new ATOM 645 N GLN A 52 -13.617 1.175 -4.977 1.00 0.00 N ATOM 646 CA GLN A 52 -12.412 1.603 -5.655 1.00 0.00 C ATOM 647 C GLN A 52 -12.451 3.086 -5.977 1.00 0.00 C ATOM 648 O GLN A 52 -12.928 3.494 -7.035 1.00 0.00 O ATOM 649 CB GLN A 52 -12.183 0.797 -6.939 1.00 0.00 C ATOM 650 CG GLN A 52 -12.136 -0.712 -6.737 1.00 0.00 C ATOM 651 CD GLN A 52 -13.506 -1.320 -6.488 1.00 0.00 C ATOM 652 OE1 GLN A 52 -14.521 -0.818 -6.977 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.543 -2.390 -5.725 1.00 0.00 N ATOM 0 H GLN A 52 -14.323 0.768 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.581 1.421 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.978 1.032 -7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.246 1.120 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.693 -1.177 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.484 -0.940 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.679 -2.773 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.436 -2.838 -5.517 1.00 0.00 H new ATOM 662 N SER A 53 -11.990 3.882 -5.048 1.00 0.00 N ATOM 663 CA SER A 53 -11.895 5.307 -5.250 1.00 0.00 C ATOM 664 C SER A 53 -10.428 5.709 -5.409 1.00 0.00 C ATOM 665 O SER A 53 -9.627 5.511 -4.496 1.00 0.00 O ATOM 666 CB SER A 53 -12.533 6.043 -4.077 1.00 0.00 C ATOM 667 OG SER A 53 -13.892 5.653 -3.922 1.00 0.00 O ATOM 0 H SER A 53 -11.671 3.564 -4.133 1.00 0.00 H new ATOM 0 HA SER A 53 -12.431 5.581 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.981 5.829 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.474 7.119 -4.240 1.00 0.00 H new ATOM 0 HG SER A 53 -14.286 6.133 -3.164 1.00 0.00 H new ATOM 673 N PRO A 54 -10.057 6.257 -6.583 1.00 0.00 N ATOM 674 CA PRO A 54 -8.671 6.674 -6.882 1.00 0.00 C ATOM 675 C PRO A 54 -8.075 7.589 -5.806 1.00 0.00 C ATOM 676 O PRO A 54 -6.873 7.523 -5.517 1.00 0.00 O ATOM 677 CB PRO A 54 -8.810 7.428 -8.204 1.00 0.00 C ATOM 678 CG PRO A 54 -10.012 6.834 -8.848 1.00 0.00 C ATOM 679 CD PRO A 54 -10.957 6.494 -7.730 1.00 0.00 C ATOM 0 HA PRO A 54 -7.995 5.820 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.936 8.498 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.924 7.304 -8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.469 7.537 -9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.748 5.944 -9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.655 7.308 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.553 5.612 -7.962 1.00 0.00 H new ATOM 687 N GLU A 55 -8.915 8.429 -5.211 1.00 0.00 N ATOM 688 CA GLU A 55 -8.468 9.337 -4.160 1.00 0.00 C ATOM 689 C GLU A 55 -8.040 8.548 -2.931 1.00 0.00 C ATOM 690 O GLU A 55 -7.041 8.875 -2.277 1.00 0.00 O ATOM 691 CB GLU A 55 -9.576 10.319 -3.787 1.00 0.00 C ATOM 692 CG GLU A 55 -9.177 11.308 -2.708 1.00 0.00 C ATOM 693 CD GLU A 55 -10.290 12.257 -2.356 1.00 0.00 C ATOM 694 OE1 GLU A 55 -10.590 13.149 -3.170 1.00 0.00 O ATOM 695 OE2 GLU A 55 -10.869 12.123 -1.257 1.00 0.00 O ATOM 0 H GLU A 55 -9.907 8.500 -5.438 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.615 9.902 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.877 10.869 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.448 9.758 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.873 10.763 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.311 11.878 -3.044 1.00 0.00 H new ATOM 702 N LEU A 56 -8.794 7.497 -2.634 1.00 0.00 N ATOM 703 CA LEU A 56 -8.505 6.635 -1.506 1.00 0.00 C ATOM 704 C LEU A 56 -7.181 5.924 -1.727 1.00 0.00 C ATOM 705 O LEU A 56 -6.379 5.804 -0.809 1.00 0.00 O ATOM 706 CB LEU A 56 -9.631 5.613 -1.307 1.00 0.00 C ATOM 707 CG LEU A 56 -9.433 4.613 -0.163 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.368 5.329 1.175 1.00 0.00 C ATOM 709 CD2 LEU A 56 -10.549 3.580 -0.164 1.00 0.00 C ATOM 0 H LEU A 56 -9.618 7.223 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.435 7.246 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.561 6.155 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.756 5.054 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.484 4.099 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.227 4.599 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.533 6.029 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.297 5.873 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.394 2.877 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.509 4.081 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.545 3.041 -1.111 1.00 0.00 H new ATOM 721 N SER A 57 -6.958 5.478 -2.958 1.00 0.00 N ATOM 722 CA SER A 57 -5.719 4.810 -3.322 1.00 0.00 C ATOM 723 C SER A 57 -4.527 5.750 -3.097 1.00 0.00 C ATOM 724 O SER A 57 -3.594 5.427 -2.365 1.00 0.00 O ATOM 725 CB SER A 57 -5.780 4.365 -4.786 1.00 0.00 C ATOM 726 OG SER A 57 -6.958 3.611 -5.032 1.00 0.00 O ATOM 0 H SER A 57 -7.626 5.569 -3.724 1.00 0.00 H new ATOM 0 HA SER A 57 -5.589 3.930 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.758 5.238 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.902 3.766 -5.026 1.00 0.00 H new ATOM 0 HG SER A 57 -6.980 3.337 -5.973 1.00 0.00 H new ATOM 732 N ALA A 58 -4.571 6.907 -3.748 1.00 0.00 N ATOM 733 CA ALA A 58 -3.545 7.937 -3.580 1.00 0.00 C ATOM 734 C ALA A 58 -3.273 8.239 -2.092 1.00 0.00 C ATOM 735 O ALA A 58 -2.132 8.474 -1.697 1.00 0.00 O ATOM 736 CB ALA A 58 -3.948 9.206 -4.313 1.00 0.00 C ATOM 0 H ALA A 58 -5.311 7.159 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.620 7.554 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.176 9.964 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.066 8.991 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.892 9.575 -3.911 1.00 0.00 H new ATOM 742 N LYS A 59 -4.320 8.231 -1.282 1.00 0.00 N ATOM 743 CA LYS A 59 -4.186 8.503 0.148 1.00 0.00 C ATOM 744 C LYS A 59 -3.596 7.297 0.902 1.00 0.00 C ATOM 745 O LYS A 59 -2.669 7.447 1.708 1.00 0.00 O ATOM 746 CB LYS A 59 -5.549 8.885 0.737 1.00 0.00 C ATOM 747 CG LYS A 59 -5.532 9.144 2.235 1.00 0.00 C ATOM 748 CD LYS A 59 -6.891 9.611 2.743 1.00 0.00 C ATOM 749 CE LYS A 59 -7.981 8.577 2.491 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.288 9.006 3.049 1.00 0.00 N ATOM 0 H LYS A 59 -5.274 8.039 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.494 9.337 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.914 9.778 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.260 8.086 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.242 8.233 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.779 9.898 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.827 9.817 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.159 10.547 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.081 8.409 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.690 7.626 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.004 8.276 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.199 9.142 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.578 9.901 2.605 1.00 0.00 H new ATOM 764 N VAL A 60 -4.142 6.112 0.627 1.00 0.00 N ATOM 765 CA VAL A 60 -3.720 4.868 1.285 1.00 0.00 C ATOM 766 C VAL A 60 -2.229 4.559 1.068 1.00 0.00 C ATOM 767 O VAL A 60 -1.651 3.787 1.808 1.00 0.00 O ATOM 768 CB VAL A 60 -4.593 3.645 0.858 1.00 0.00 C ATOM 769 CG1 VAL A 60 -4.181 3.106 -0.504 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.545 2.545 1.912 1.00 0.00 C ATOM 0 H VAL A 60 -4.888 5.984 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.872 5.037 2.351 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.622 3.995 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.812 2.256 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.296 3.888 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.139 2.787 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.161 1.705 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.516 2.211 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.924 2.931 2.858 1.00 0.00 H new ATOM 780 N VAL A 61 -1.620 5.170 0.053 1.00 0.00 N ATOM 781 CA VAL A 61 -0.198 4.946 -0.218 1.00 0.00 C ATOM 782 C VAL A 61 0.657 6.118 0.311 1.00 0.00 C ATOM 783 O VAL A 61 1.773 5.918 0.803 1.00 0.00 O ATOM 784 CB VAL A 61 0.087 4.697 -1.734 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.262 5.914 -2.578 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.541 4.282 -1.953 1.00 0.00 C ATOM 0 H VAL A 61 -2.080 5.816 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 61 0.085 4.039 0.316 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.556 3.878 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.050 5.703 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.321 6.146 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.334 6.766 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.715 4.114 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.202 5.072 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.744 3.363 -1.403 1.00 0.00 H new ATOM 796 N GLU A 62 0.104 7.330 0.222 1.00 0.00 N ATOM 797 CA GLU A 62 0.783 8.542 0.690 1.00 0.00 C ATOM 798 C GLU A 62 1.151 8.431 2.173 1.00 0.00 C ATOM 799 O GLU A 62 2.331 8.504 2.542 1.00 0.00 O ATOM 800 CB GLU A 62 -0.105 9.771 0.461 1.00 0.00 C ATOM 801 CG GLU A 62 0.490 11.082 0.963 1.00 0.00 C ATOM 802 CD GLU A 62 1.798 11.435 0.289 1.00 0.00 C ATOM 803 OE1 GLU A 62 1.771 11.854 -0.884 1.00 0.00 O ATOM 804 OE2 GLU A 62 2.863 11.307 0.936 1.00 0.00 O ATOM 0 H GLU A 62 -0.821 7.499 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 62 1.703 8.654 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.308 9.863 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.063 9.609 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.226 11.887 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.649 11.014 2.039 1.00 0.00 H new ATOM 811 N LYS A 63 0.143 8.237 3.013 1.00 0.00 N ATOM 812 CA LYS A 63 0.361 8.128 4.449 1.00 0.00 C ATOM 813 C LYS A 63 1.051 6.817 4.783 1.00 0.00 C ATOM 814 O LYS A 63 1.792 6.724 5.756 1.00 0.00 O ATOM 815 CB LYS A 63 -0.965 8.227 5.211 1.00 0.00 C ATOM 816 CG LYS A 63 -1.741 9.507 4.939 1.00 0.00 C ATOM 817 CD LYS A 63 -2.984 9.615 5.813 1.00 0.00 C ATOM 818 CE LYS A 63 -2.629 9.810 7.285 1.00 0.00 C ATOM 819 NZ LYS A 63 -1.832 11.045 7.511 1.00 0.00 N ATOM 0 H LYS A 63 -0.832 8.152 2.725 1.00 0.00 H new ATOM 0 HA LYS A 63 1.001 8.955 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.589 7.373 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.764 8.156 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.096 10.367 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.032 9.539 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.595 10.451 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.586 8.713 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.544 9.857 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.066 8.946 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.857 11.294 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.847 10.881 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.234 11.824 6.952 1.00 0.00 H new ATOM 833 N LEU A 64 0.800 5.817 3.952 1.00 0.00 N ATOM 834 CA LEU A 64 1.372 4.487 4.121 1.00 0.00 C ATOM 835 C LEU A 64 2.885 4.545 4.186 1.00 0.00 C ATOM 836 O LEU A 64 3.490 4.210 5.204 1.00 0.00 O ATOM 837 CB LEU A 64 0.960 3.594 2.962 1.00 0.00 C ATOM 838 CG LEU A 64 1.305 2.123 3.097 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.530 1.517 4.240 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.018 1.384 1.798 1.00 0.00 C ATOM 0 H LEU A 64 0.192 5.904 3.138 1.00 0.00 H new ATOM 0 HA LEU A 64 0.996 4.079 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.118 3.682 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.427 3.974 2.053 1.00 0.00 H new ATOM 0 HG LEU A 64 2.370 2.029 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.783 0.461 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.785 2.032 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.538 1.619 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.272 0.330 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.040 1.477 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.616 1.814 0.995 1.00 0.00 H new ATOM 852 N ASN A 65 3.490 5.014 3.102 1.00 0.00 N ATOM 853 CA ASN A 65 4.940 5.070 2.998 1.00 0.00 C ATOM 854 C ASN A 65 5.532 5.995 4.039 1.00 0.00 C ATOM 855 O ASN A 65 6.672 5.821 4.448 1.00 0.00 O ATOM 856 CB ASN A 65 5.366 5.490 1.594 1.00 0.00 C ATOM 857 CG ASN A 65 6.871 5.661 1.454 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.408 6.752 1.641 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.562 4.585 1.123 1.00 0.00 N ATOM 0 H ASN A 65 2.996 5.362 2.280 1.00 0.00 H new ATOM 0 HA ASN A 65 5.326 4.068 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.023 4.743 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.874 6.428 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.575 4.643 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.083 3.697 0.976 1.00 0.00 H new ATOM 866 N GLN A 66 4.746 6.959 4.483 1.00 0.00 N ATOM 867 CA GLN A 66 5.198 7.882 5.499 1.00 0.00 C ATOM 868 C GLN A 66 5.466 7.121 6.791 1.00 0.00 C ATOM 869 O GLN A 66 6.505 7.290 7.424 1.00 0.00 O ATOM 870 CB GLN A 66 4.151 8.970 5.733 1.00 0.00 C ATOM 871 CG GLN A 66 4.750 10.343 5.957 1.00 0.00 C ATOM 872 CD GLN A 66 5.520 10.840 4.743 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.076 10.454 3.558 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 6.498 11.573 4.872 1.00 0.00 N flip ATOM 0 H GLN A 66 3.794 7.120 4.155 1.00 0.00 H new ATOM 0 HA GLN A 66 6.119 8.360 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.481 9.010 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.545 8.701 6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.955 11.050 6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.416 10.310 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.809 11.849 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.998 11.906 4.048 1.00 0.00 H new ATOM 883 N VAL A 67 4.507 6.289 7.178 1.00 0.00 N ATOM 884 CA VAL A 67 4.654 5.439 8.359 1.00 0.00 C ATOM 885 C VAL A 67 5.803 4.452 8.172 1.00 0.00 C ATOM 886 O VAL A 67 6.580 4.211 9.091 1.00 0.00 O ATOM 887 CB VAL A 67 3.362 4.642 8.655 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.463 3.921 9.991 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.139 5.545 8.624 1.00 0.00 C ATOM 0 H VAL A 67 3.617 6.183 6.692 1.00 0.00 H new ATOM 0 HA VAL A 67 4.862 6.100 9.200 1.00 0.00 H new ATOM 0 HB VAL A 67 3.247 3.894 7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.542 3.368 10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.304 3.228 9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.615 4.650 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.246 4.956 8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.245 6.327 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.048 6.000 7.638 1.00 0.00 H new ATOM 899 N CYS A 68 5.903 3.889 6.980 1.00 0.00 N ATOM 900 CA CYS A 68 6.949 2.926 6.669 1.00 0.00 C ATOM 901 C CYS A 68 8.324 3.585 6.697 1.00 0.00 C ATOM 902 O CYS A 68 9.315 2.957 7.052 1.00 0.00 O ATOM 903 CB CYS A 68 6.682 2.303 5.312 1.00 0.00 C ATOM 904 SG CYS A 68 4.989 1.661 5.132 1.00 0.00 S ATOM 0 H CYS A 68 5.268 4.083 6.206 1.00 0.00 H new ATOM 0 HA CYS A 68 6.941 2.144 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.865 3.047 4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.390 1.491 5.148 1.00 0.00 H new ATOM 909 N ALA A 69 8.375 4.845 6.286 1.00 0.00 N ATOM 910 CA ALA A 69 9.602 5.636 6.339 1.00 0.00 C ATOM 911 C ALA A 69 10.153 5.709 7.765 1.00 0.00 C ATOM 912 O ALA A 69 11.331 5.997 7.969 1.00 0.00 O ATOM 913 CB ALA A 69 9.364 7.032 5.790 1.00 0.00 C ATOM 0 H ALA A 69 7.572 5.348 5.908 1.00 0.00 H new ATOM 0 HA ALA A 69 10.345 5.139 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.290 7.605 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.033 6.964 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.598 7.531 6.383 1.00 0.00 H new ATOM 919 N LYS A 70 9.292 5.450 8.742 1.00 0.00 N ATOM 920 CA LYS A 70 9.697 5.459 10.133 1.00 0.00 C ATOM 921 C LYS A 70 10.491 4.208 10.469 1.00 0.00 C ATOM 922 O LYS A 70 11.510 4.281 11.166 1.00 0.00 O ATOM 923 CB LYS A 70 8.487 5.581 11.041 1.00 0.00 C ATOM 924 CG LYS A 70 7.666 6.819 10.771 1.00 0.00 C ATOM 925 CD LYS A 70 6.468 6.904 11.685 1.00 0.00 C ATOM 926 CE LYS A 70 5.677 8.163 11.415 1.00 0.00 C ATOM 927 NZ LYS A 70 6.497 9.381 11.623 1.00 0.00 N ATOM 0 H LYS A 70 8.307 5.231 8.591 1.00 0.00 H new ATOM 0 HA LYS A 70 10.338 6.325 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.857 4.700 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.819 5.592 12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.288 7.704 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.333 6.816 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.832 6.031 11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.796 6.891 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.304 8.146 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.807 8.194 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.873 10.206 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.074 9.269 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.121 9.524 10.803 1.00 0.00 H new ATOM 941 N ASP A 71 10.041 3.056 9.972 1.00 0.00 N ATOM 942 CA ASP A 71 10.763 1.808 10.191 1.00 0.00 C ATOM 943 C ASP A 71 10.657 0.904 8.953 1.00 0.00 C ATOM 944 O ASP A 71 9.561 0.518 8.539 1.00 0.00 O ATOM 945 CB ASP A 71 10.307 1.074 11.484 1.00 0.00 C ATOM 946 CG ASP A 71 8.926 0.446 11.419 1.00 0.00 C ATOM 947 OD1 ASP A 71 7.926 1.161 11.647 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.838 -0.786 11.194 1.00 0.00 O ATOM 0 H ASP A 71 9.188 2.963 9.420 1.00 0.00 H new ATOM 0 HA ASP A 71 11.813 2.058 10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.033 0.294 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.327 1.783 12.311 1.00 0.00 H new ATOM 953 N PRO A 72 11.812 0.575 8.331 1.00 0.00 N ATOM 954 CA PRO A 72 11.868 -0.231 7.088 1.00 0.00 C ATOM 955 C PRO A 72 11.286 -1.642 7.231 1.00 0.00 C ATOM 956 O PRO A 72 11.124 -2.350 6.242 1.00 0.00 O ATOM 957 CB PRO A 72 13.370 -0.318 6.780 1.00 0.00 C ATOM 958 CG PRO A 72 13.990 0.804 7.538 1.00 0.00 C ATOM 959 CD PRO A 72 13.160 0.978 8.774 1.00 0.00 C ATOM 0 HA PRO A 72 11.268 0.233 6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.781 -1.278 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.559 -0.223 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.025 0.578 7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.000 1.718 6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.519 0.353 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.176 2.008 9.129 1.00 0.00 H new ATOM 967 N GLN A 73 10.980 -2.043 8.454 1.00 0.00 N ATOM 968 CA GLN A 73 10.431 -3.372 8.728 1.00 0.00 C ATOM 969 C GLN A 73 8.998 -3.522 8.198 1.00 0.00 C ATOM 970 O GLN A 73 8.419 -4.605 8.254 1.00 0.00 O ATOM 971 CB GLN A 73 10.453 -3.629 10.231 1.00 0.00 C ATOM 972 CG GLN A 73 11.801 -3.356 10.867 1.00 0.00 C ATOM 973 CD GLN A 73 11.774 -3.475 12.374 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.031 -4.541 12.932 1.00 0.00 O ATOM 975 NE2 GLN A 73 11.459 -2.384 13.042 1.00 0.00 N ATOM 0 H GLN A 73 11.102 -1.464 9.285 1.00 0.00 H new ATOM 0 HA GLN A 73 11.052 -4.104 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.700 -3.004 10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.174 -4.666 10.419 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.535 -4.055 10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.131 -2.354 10.592 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.253 -1.520 12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.421 -2.403 14.061 1.00 0.00 H new ATOM 984 N MET A 74 8.429 -2.439 7.705 1.00 0.00 N ATOM 985 CA MET A 74 7.074 -2.472 7.181 1.00 0.00 C ATOM 986 C MET A 74 7.036 -2.937 5.725 1.00 0.00 C ATOM 987 O MET A 74 7.333 -2.166 4.802 1.00 0.00 O ATOM 988 CB MET A 74 6.403 -1.107 7.325 1.00 0.00 C ATOM 989 CG MET A 74 6.306 -0.629 8.760 1.00 0.00 C ATOM 990 SD MET A 74 5.382 0.910 8.944 1.00 0.00 S ATOM 991 CE MET A 74 3.747 0.391 8.436 1.00 0.00 C ATOM 0 H MET A 74 8.881 -1.526 7.656 1.00 0.00 H new ATOM 0 HA MET A 74 6.517 -3.199 7.772 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.961 -0.374 6.743 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.401 -1.157 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.830 -1.404 9.361 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.311 -0.490 9.157 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.016 1.139 8.742 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.721 0.280 7.352 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.507 -0.564 8.904 1.00 0.00 H new ATOM 1001 N LEU A 75 6.683 -4.204 5.522 1.00 0.00 N ATOM 1002 CA LEU A 75 6.535 -4.755 4.175 1.00 0.00 C ATOM 1003 C LEU A 75 5.307 -4.141 3.524 1.00 0.00 C ATOM 1004 O LEU A 75 4.400 -3.702 4.225 1.00 0.00 O ATOM 1005 CB LEU A 75 6.401 -6.294 4.201 1.00 0.00 C ATOM 1006 CG LEU A 75 7.656 -7.104 4.585 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.851 -6.697 3.738 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.969 -6.974 6.071 1.00 0.00 C ATOM 0 H LEU A 75 6.494 -4.869 6.272 1.00 0.00 H new ATOM 0 HA LEU A 75 7.429 -4.512 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.605 -6.552 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.076 -6.622 3.213 1.00 0.00 H new ATOM 0 HG LEU A 75 7.444 -8.154 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.721 -7.284 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.629 -6.876 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.060 -5.638 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.859 -7.557 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.146 -5.927 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.126 -7.345 6.654 1.00 0.00 H new ATOM 1020 N LEU A 76 5.271 -4.111 2.193 1.00 0.00 N ATOM 1021 CA LEU A 76 4.149 -3.495 1.482 1.00 0.00 C ATOM 1022 C LEU A 76 2.829 -4.148 1.871 1.00 0.00 C ATOM 1023 O LEU A 76 1.883 -3.467 2.254 1.00 0.00 O ATOM 1024 CB LEU A 76 4.340 -3.572 -0.032 1.00 0.00 C ATOM 1025 CG LEU A 76 3.310 -2.795 -0.859 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.457 -1.298 -0.628 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.438 -3.128 -2.336 1.00 0.00 C ATOM 0 H LEU A 76 5.996 -4.501 1.590 1.00 0.00 H new ATOM 0 HA LEU A 76 4.120 -2.445 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.335 -3.199 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.309 -4.619 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 76 2.315 -3.095 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.717 -0.764 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.302 -1.076 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.457 -0.981 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.696 -2.564 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.437 -2.864 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.273 -4.195 -2.484 1.00 0.00 H new ATOM 1039 N ILE A 77 2.787 -5.471 1.788 1.00 0.00 N ATOM 1040 CA ILE A 77 1.585 -6.228 2.121 1.00 0.00 C ATOM 1041 C ILE A 77 1.119 -5.925 3.545 1.00 0.00 C ATOM 1042 O ILE A 77 -0.049 -5.599 3.770 1.00 0.00 O ATOM 1043 CB ILE A 77 1.820 -7.753 1.974 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.243 -8.099 0.541 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.570 -8.535 2.367 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.219 -7.735 -0.512 1.00 0.00 C ATOM 0 H ILE A 77 3.576 -6.046 1.491 1.00 0.00 H new ATOM 0 HA ILE A 77 0.811 -5.920 1.418 1.00 0.00 H new ATOM 0 HB ILE A 77 2.627 -8.038 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.178 -7.585 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.445 -9.169 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.759 -9.603 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.316 -8.318 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.259 -8.244 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.595 -8.012 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.289 -8.269 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.034 -6.661 -0.484 1.00 0.00 H new ATOM 1058 N THR A 78 2.039 -6.014 4.494 1.00 0.00 N ATOM 1059 CA THR A 78 1.722 -5.776 5.890 1.00 0.00 C ATOM 1060 C THR A 78 1.229 -4.345 6.102 1.00 0.00 C ATOM 1061 O THR A 78 0.214 -4.120 6.765 1.00 0.00 O ATOM 1062 CB THR A 78 2.954 -6.022 6.765 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.691 -7.134 6.238 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.538 -6.324 8.196 1.00 0.00 C ATOM 0 H THR A 78 3.016 -6.251 4.319 1.00 0.00 H new ATOM 0 HA THR A 78 0.929 -6.468 6.175 1.00 0.00 H new ATOM 0 HB THR A 78 3.576 -5.127 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.482 -7.295 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.426 -6.496 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.981 -5.478 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.909 -7.214 8.212 1.00 0.00 H new ATOM 1072 N ALA A 79 1.967 -3.392 5.549 1.00 0.00 N ATOM 1073 CA ALA A 79 1.620 -1.980 5.633 1.00 0.00 C ATOM 1074 C ALA A 79 0.193 -1.700 5.142 1.00 0.00 C ATOM 1075 O ALA A 79 -0.569 -1.007 5.811 1.00 0.00 O ATOM 1076 CB ALA A 79 2.627 -1.151 4.857 1.00 0.00 C ATOM 0 H ALA A 79 2.825 -3.577 5.029 1.00 0.00 H new ATOM 0 HA ALA A 79 1.653 -1.695 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.360 -0.096 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.622 -1.301 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.623 -1.459 3.812 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.168 -2.249 3.983 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.510 -2.034 3.423 1.00 0.00 C ATOM 1084 C ILE A 80 -2.588 -2.618 4.352 1.00 0.00 C ATOM 1085 O ILE A 80 -3.700 -2.093 4.448 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.633 -2.629 1.990 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.562 -2.015 1.079 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.025 -2.370 1.411 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.547 -2.578 -0.326 1.00 0.00 C ATOM 0 H ILE A 80 0.439 -2.840 3.416 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.668 -0.958 3.347 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.482 -3.707 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.720 -0.938 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.417 -2.171 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.087 -2.795 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.777 -2.834 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.204 -1.296 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.238 -2.091 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.357 -3.650 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.512 -2.398 -0.800 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.243 -3.690 5.050 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.152 -4.293 6.025 1.00 0.00 C ATOM 1103 C ASP A 81 -3.236 -3.409 7.274 1.00 0.00 C ATOM 1104 O ASP A 81 -4.258 -3.366 7.963 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.672 -5.705 6.401 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.507 -6.352 7.496 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.549 -6.964 7.177 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.106 -6.272 8.681 1.00 0.00 O ATOM 0 H ASP A 81 -1.343 -4.162 4.963 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.144 -4.373 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.696 -6.338 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.634 -5.653 6.728 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.159 -2.678 7.535 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.082 -1.787 8.689 1.00 0.00 C ATOM 1115 C ASP A 82 -2.947 -0.545 8.465 1.00 0.00 C ATOM 1116 O ASP A 82 -3.543 -0.012 9.395 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.629 -1.391 8.964 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.455 -0.683 10.288 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.379 -1.371 11.330 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.384 0.556 10.302 1.00 0.00 O ATOM 0 H ASP A 82 -1.318 -2.685 6.957 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.463 -2.317 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.005 -2.285 8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.276 -0.743 8.162 1.00 0.00 H new ATOM 1125 N THR A 83 -3.008 -0.080 7.233 1.00 0.00 N ATOM 1126 CA THR A 83 -3.871 1.033 6.903 1.00 0.00 C ATOM 1127 C THR A 83 -5.322 0.573 6.828 1.00 0.00 C ATOM 1128 O THR A 83 -6.242 1.333 7.134 1.00 0.00 O ATOM 1129 CB THR A 83 -3.457 1.715 5.589 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.987 0.735 4.659 1.00 0.00 O ATOM 1131 CG2 THR A 83 -2.372 2.751 5.839 1.00 0.00 C ATOM 0 H THR A 83 -2.473 -0.454 6.449 1.00 0.00 H new ATOM 0 HA THR A 83 -3.770 1.771 7.698 1.00 0.00 H new ATOM 0 HB THR A 83 -4.329 2.220 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.515 -0.085 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.094 3.221 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.745 3.510 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.498 2.265 6.274 1.00 0.00 H new ATOM 1139 N MET A 84 -5.518 -0.684 6.421 1.00 0.00 N ATOM 1140 CA MET A 84 -6.849 -1.291 6.375 1.00 0.00 C ATOM 1141 C MET A 84 -7.527 -1.220 7.736 1.00 0.00 C ATOM 1142 O MET A 84 -8.702 -0.922 7.825 1.00 0.00 O ATOM 1143 CB MET A 84 -6.763 -2.758 5.900 1.00 0.00 C ATOM 1144 CG MET A 84 -8.101 -3.508 5.879 1.00 0.00 C ATOM 1145 SD MET A 84 -8.691 -4.014 7.516 1.00 0.00 S ATOM 1146 CE MET A 84 -7.342 -5.052 8.062 1.00 0.00 C ATOM 0 H MET A 84 -4.767 -1.303 6.117 1.00 0.00 H new ATOM 0 HA MET A 84 -7.449 -0.727 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.337 -2.776 4.897 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.072 -3.295 6.549 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.854 -2.872 5.414 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.999 -4.393 5.252 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.719 -5.802 8.757 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.893 -5.548 7.201 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.591 -4.440 8.561 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.774 -1.465 8.790 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.347 -1.449 10.131 1.00 0.00 C ATOM 1158 C ARG A 85 -7.657 -0.010 10.545 1.00 0.00 C ATOM 1159 O ARG A 85 -8.607 0.250 11.283 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.406 -2.128 11.147 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.105 -1.386 11.376 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.170 -2.141 12.301 1.00 0.00 C ATOM 1163 NE ARG A 85 -2.934 -1.391 12.551 1.00 0.00 N ATOM 1164 CZ ARG A 85 -2.780 -0.485 13.520 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.780 -0.220 14.357 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -1.625 0.152 13.650 1.00 0.00 N ATOM 0 H ARG A 85 -5.777 -1.675 8.751 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.277 -2.018 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.928 -2.228 12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.181 -3.136 10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.610 -1.220 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.318 -0.405 11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.674 -2.338 13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.926 -3.109 11.862 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.137 -1.574 11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.669 -0.710 14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.657 0.473 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.856 -0.050 13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.505 0.844 14.389 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.839 0.915 10.056 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.010 2.332 10.330 1.00 0.00 C ATOM 1182 C ALA A 86 -8.283 2.897 9.700 1.00 0.00 C ATOM 1183 O ALA A 86 -9.151 3.411 10.402 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.791 3.109 9.847 1.00 0.00 C ATOM 0 H ALA A 86 -6.040 0.701 9.459 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.110 2.444 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.929 4.170 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.902 2.749 10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.669 2.964 8.774 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.407 2.795 8.380 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.558 3.379 7.677 1.00 0.00 C ATOM 1192 C ILE A 87 -10.723 2.399 7.578 1.00 0.00 C ATOM 1193 O ILE A 87 -11.842 2.779 7.210 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.176 3.837 6.253 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.636 2.652 5.440 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -8.154 4.967 6.315 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.352 2.977 3.992 1.00 0.00 C ATOM 0 H ILE A 87 -7.736 2.320 7.776 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.868 4.241 8.268 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.068 4.214 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.719 2.292 5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.358 1.836 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.895 5.279 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.578 5.812 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.258 4.619 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.974 2.088 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.270 3.307 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.607 3.770 3.937 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.456 1.151 7.920 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.461 0.108 7.831 1.00 0.00 C ATOM 1211 C GLY A 88 -12.538 0.251 8.873 1.00 0.00 C ATOM 1212 O GLY A 88 -13.618 -0.320 8.742 1.00 0.00 O ATOM 0 H GLY A 88 -9.549 0.835 8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.914 0.129 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.981 -0.864 7.941 1.00 0.00 H new